pyiron_workflow

A workflow management system (WfMS) built on top of the flowrep data paradigm, for transforming prospective recipes into retrospective data results.

Features

Clear provenance coupling flowrep's recipes to resulting data, augmented with practical metadata for each run
Easy, dynamic workflow construction with the core Workflow object
Type and ontological validation of recipes using semantikon for ontological analysis
Scale compute by applying python executors to any node in the workflow, including HPC SLURM-allocated resources leveraging executorlib
Monitor progress with a flexible event hook system, useful for dumping checkpoints or state-at-exception for failed runs, or for GUIs to grab onto for visually monitoring what has been executed so far

For an introduction and full tour of available features, check out the user guide notebook

Installation

conda install -c conda-forge pyiron_workflow

See the pyproject file for optional dependencies to unlock extra functionality.

Migrating from an older version

Versions of pyiron_workflow <0.17.0 pre-date flowrep; Version 0.18.0 offers old and flowrep-based implementations concurrently, and includes a compatibility module and notebook to aid with migration; From version 0.19.0 onwards, only the flowrep-based implementation is available. However, the API still offers @as_function_node and @as_macro_node decorators which turn functions into constructors for the new, modern node instances, and all other legacy API elements will provide a hint on the path forwards when they fail to import. The upgrading notebook gives some tips on managing minor syntactic differences and migrating to @flowrep.workflow-decorated node libraries.

Citing

If you use pyiron_workflow in your research, please cite the Zenodo DOI

Metadata

Release files for pyiron-workflow 0.20.3

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for pyiron-workflow 0.20.3
File	Size	Uploaded
pyiron_workflow-0.20.3.tar.gz	60.0 kB	Oct 2, 2026	Details

Built distribution (wheel)

Table of built distributions (wheels) for pyiron-workflow 0.20.3
File	Interpreter	ABI	Platform	Reset
pyiron_workflow-0.20.3-py3-none-any.whl 74.6 kB Oct 2, 2026	Python 3	none	any	Details

Total release size: 134.6 kB

Release files / pyiron_workflow-0.20.3.tar.gz

Download URL	pyiron_workflow-0.20.3.tar.gz
Size	60.0 kB
Tags	Source
SHA-256 checksum How to use checksums	`c8d5ab495201e251f98bca68ce76aab5601a4182610094983c9e56a9901db30b`
BLAKE2b-256 checksum How to use checksums	`930ab11b898cb0601795c5a20452632176dbf2884fae552d8d73231a6779beda`
Upload date	Oct 2, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`twine/7.0.0 CPython/3.13.14`

Release files / pyiron_workflow-0.20.3-py3-none-any.whl

Download URL	pyiron_workflow-0.20.3-py3-none-any.whl
Size	74.6 kB
Tags	Python 3
SHA-256 checksum How to use checksums	`c379def4623eba02e1189496bac2677418b06f9b2d19848bec0859fe6fc77605`
BLAKE2b-256 checksum How to use checksums	`9bf550ab831118c0089d85b4feffc3b90791f2a8c17ccb34c636470284c1a014`
Upload date	Oct 2, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`twine/7.0.0 CPython/3.13.14`